1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C80H119ClF6N14O — CID 173143318

IUPAC1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC(C)(C)c1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)cc1.Clc1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)nc1.FC(F)(F)Oc1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)cc1.FC(F)(F)c1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)nc1
InChIInChI=1S/C23H37N3.C20H28F3N3O.C19H27F3N4.C18H27ClN4/c1-23(2,3)20-6-8-21(9-7-20)25-15-13-24(14-16-25)17-19-5-4-12-26(18-19)22-10-11-22;21-20(22,23)27-19-7-5-17(6-8-19)25-12-10-24(11-13-25)14-16-2-1-9-26(15-16)18-3-4-18;20-19(21,22)16-3-6-18(23-12-16)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17;19-16-3-6-18(20-12-16)22-10-8-21(9-11-22)13-15-2-1-7-23(14-15)17-4-5-17/h6-9,19,22H,4-5,10-18H2,1-3H3;5-8,16,18H,1-4,9-15H2;3,6,12,15,17H,1-2,4-5,7-11,13-14H2;3,6,12,15,17H,1-2,4-5,7-11,13-14H2
InChIKeyZREHOJSRWSBGHR-UHFFFAOYSA-N
MW1442.37 g/mol
LogP13.39
Rot. Bonds17

About 1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 173143318) has the molecular formula C80H119ClF6N14O and a molecular weight of 1442.37 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID173143318
Molecular FormulaC80H119ClF6N14O
Molecular Weight1442.37 g/mol
Exact Mass1440.93
IUPAC Name1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC(C)(C)c1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)cc1.Clc1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)nc1.FC(F)(F)Oc1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)cc1.FC(F)(F)c1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)nc1
InChIInChI=1S/C23H37N3.C20H28F3N3O.C19H27F3N4.C18H27ClN4/c1-23(2,3)20-6-8-21(9-7-20)25-15-13-24(14-16-25)17-19-5-4-12-26(18-19)22-10-11-22;21-20(22,23)27-19-7-5-17(6-8-19)25-12-10-24(11-13-25)14-16-2-1-9-26(15-16)18-3-4-18;20-19(21,22)16-3-6-18(23-12-16)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17;19-16-3-6-18(20-12-16)22-10-8-21(9-11-22)13-15-2-1-7-23(14-15)17-4-5-17/h6-9,19,22H,4-5,10-18H2,1-3H3;5-8,16,18H,1-4,9-15H2;3,6,12,15,17H,1-2,4-5,7-11,13-14H2;3,6,12,15,17H,1-2,4-5,7-11,13-14H2
InChIKeyZREHOJSRWSBGHR-UHFFFAOYSA-N
XLogP13.39
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001442.37
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 173143318) is 1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is CC(C)(C)c1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)cc1.Clc1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)nc1.FC(F)(F)Oc1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)cc1.FC(F)(F)c1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)nc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is ZREHOJSRWSBGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3.C20H28F3N3O.C19H27F3N4.C18H27ClN4/c1-23(2,3)20-6-8-21(9-7-20)25-15-13-24(14-16-25)17-19-5-4-12-26(18-19)22-10-11-22;21-20(22,23)27-19-7-5-17(6-8-19)25-12-10-24(11-13-25)14-16-2-1-9-26(15-16)18-3-4-18;20-19(21,22)16-3-6-18(23-12-16)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17;19-16-3-6-18(20-12-16)22-10-8-21(9-11-22)13-15-2-1-7-23(14-15)17-4-5-17/h6-9,19,22H,4-5,10-18H2,1-3H3;5-8,16,18H,1-4,9-15H2;3,6,12,15,17H,1-2,4-5,7-11,13-14H2;3,6,12,15,17H,1-2,4-5,7-11,13-14H2.
What are the key properties of 1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 1442.37 g/mol, XLogP of 13.39, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-(5-chloro-2-pyridinyl)-4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperazine;1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 173143318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).